CID 168295720

Chembl5207776

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

C1CC1C2=NC3=CC=CC=C3C4=C2NC=C4

InChI

InChI=1S/C14H12N2/c1-2-4-12-10(3-1)11-7-8-15-14(11)13(16-12)9-5-6-9/h1-4,7-9,15H,5-6H2

InChIKey

ZZVRIDXWDSTVPW-UHFFFAOYSA-N

Compound name

4-cyclopropyl-3H-pyrrolo[2,3-c]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 208.10005 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.10733	147.8
[M+Na]+	231.08927	160.3
[M-H]-	207.09277	153.4
[M+NH4]+	226.13387	162.5
[M+K]+	247.06321	153.1
[M+H-H2O]+	191.09731	140.2
[M+HCOO]-	253.09825	168.8
[M+CH3COO]-	267.11390	160.5
[M+Na-2H]-	229.07472	155.5
[M]+	208.09950	149.9
[M]-	208.10060	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.